Mol:BMMCPYCTq003
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 38 0 0 1 0 0 0 0 0999 V2000 | + | 37 38 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7826 2.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7826 2.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 5 1 1 0 0 0 | + | 2 5 1 1 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 3 12 1 1 0 0 0 | + | 3 12 1 1 0 0 0 |
| − | 13 35 1 0 0 0 0 | + | 13 35 1 0 0 0 0 |
| − | 35 34 1 0 0 0 0 | + | 35 34 1 0 0 0 0 |
| − | 34 31 1 0 0 0 0 | + | 34 31 1 0 0 0 0 |
| − | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
| − | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 24 1 0 0 0 0 | + | 25 24 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 22 29 1 6 0 0 0 | + | 22 29 1 6 0 0 0 |
| − | 25 29 1 6 0 0 0 | + | 25 29 1 6 0 0 0 |
| − | 24 28 1 1 0 0 0 | + | 24 28 1 1 0 0 0 |
| − | 23 27 1 1 0 0 0 | + | 23 27 1 1 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTq003 | + | ID BMMCPYCTq003 |
| − | NAME 2- | + | NAME [(2R,3S,4R,5R) -5- (4-Amino-2-oxopyrimidin-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl [ [(2R,3S) -2,4-dihydroxy-3-methyl-3-phosphonooxybutoxy] -hydroxyphosphoryl] hydrogen phosphate |
| − | FORMULA C14H26N3O17P3 | + | CAS_RN 263016-95-1 |
| − | EXACTMASS 601.0475 | + | FORMULA C14H26N3O17P3 |
| − | AVERAGEMASS 601.2875 | + | EXACTMASS 601.0475 |
| − | SMILES OC[C@](C)([C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2)OP(O)(O)=O | + | AVERAGEMASS 601.2875 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436 | + | SMILES OC[C@](C)([C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2)OP(O)(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:08, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
37 38 0 0 1 0 0 0 0 0999 V2000
2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7826 2.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 5 1 1 0 0 0
2 7 1 6 0 0 0
3 4 1 0 0 0 0
4 13 1 0 0 0 0
3 12 1 1 0 0 0
13 35 1 0 0 0 0
35 34 1 0 0 0 0
34 31 1 0 0 0 0
31 30 1 0 0 0 0
30 26 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
25 26 1 0 0 0 0
25 24 1 0 0 0 0
24 23 1 0 0 0 0
23 22 1 0 0 0 0
22 29 1 6 0 0 0
25 29 1 6 0 0 0
24 28 1 1 0 0 0
23 27 1 1 0 0 0
22 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
15 20 2 0 0 0 0
17 21 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
S SKP 7
ID BMMCPYCTq003
NAME [(2R,3S,4R,5R) -5- (4-Amino-2-oxopyrimidin-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl [ [(2R,3S) -2,4-dihydroxy-3-methyl-3-phosphonooxybutoxy] -hydroxyphosphoryl] hydrogen phosphate
CAS_RN 263016-95-1
FORMULA C14H26N3O17P3
EXACTMASS 601.0475
AVERAGEMASS 601.2875
SMILES OC[C@](C)([C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436
M END
